N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride

C12H25ClN4O2S — CID 119998499

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C12H24N4O2S.ClH/c1-8(2)6-12(5,7-13)16-19(17,18)11-9(3)14-15-10(11)4;/h8,16H,6-7,13H2,1-5H3,(H,14,15);1H
InChIKeyFCXKOWIFRZFJHT-UHFFFAOYSA-N
MW324.88 g/mol
LogP1.49
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (PubChem CID 119998499) has the molecular formula C12H25ClN4O2S and a molecular weight of 324.88 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
PubChem CID119998499
Molecular FormulaC12H25ClN4O2S
Molecular Weight324.88 g/mol
Exact Mass324.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C12H24N4O2S.ClH/c1-8(2)6-12(5,7-13)16-19(17,18)11-9(3)14-15-10(11)4;/h8,16H,6-7,13H2,1-5H3,(H,14,15);1H
InChIKeyFCXKOWIFRZFJHT-UHFFFAOYSA-N
XLogP1.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-2-methylpropan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033115
N-(1-bromo-2-methylpropan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 114298583
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107159005
N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
CID 119985245
1-amino-2,4-dimethyl-2-(sulfamoylamino)pentane
CID 114959433
1-amino-2,4-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentane;hydrochloride
CID 119985049
N-(1-amino-2-methylpropan-2-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 62007842
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 28708027
N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106141679
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (CID 119998499) is N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is FCXKOWIFRZFJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S.ClH/c1-8(2)6-12(5,7-13)16-19(17,18)11-9(3)14-15-10(11)4;/h8,16H,6-7,13H2,1-5H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119998499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).